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Information card for entry 7135113
Preview
| Coordinates | 7135113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H18 N2 O2 S4 |
|---|---|
| Calculated formula | C28 H18 N2 O2 S4 |
| Title of publication | Tuneable Phosphorescence and Singlet Oxygen Production of Bridged Ethers via Chalcogen Variation and Photocyclisation |
| Authors of publication | Schmiedtchen, Marco; Lorberg, Rick Y.; Sailaja, Sidharth Thulaseedharan Nair; Wölper, Christoph; Galstyan, Anzhela; Voskuhl, Jens |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 6.1558 ± 0.0006 Å |
| b | 16.8897 ± 0.0016 Å |
| c | 12.1311 ± 0.0011 Å |
| α | 90° |
| β | 103.961 ± 0.003° |
| γ | 90° |
| Cell volume | 1224 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303009 (current) | 2025-10-28 | cif/ Adding structures of 7135109, 7135110, 7135111, 7135112, 7135113, 7135114, 7135115 via cif-deposit CGI script. |
7135113.cif |
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Users of the data should acknowledge the original authors of the
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